2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile

C20H17F2N3O2 — CID 154863356

IUPAC2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile
SMILESCOc1cc(CCNc2nc3ccccc3cc2C#N)ccc1OC(F)F
InChIInChI=1S/C20H17F2N3O2/c1-26-18-10-13(6-7-17(18)27-20(21)22)8-9-24-19-15(12-23)11-14-4-2-3-5-16(14)25-19/h2-7,10-11,20H,8-9H2,1H3,(H,24,25)
InChIKeySLSQVKVLENGQJL-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.37
Rot. Bonds7

About 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile

2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile (PubChem CID 154863356) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile
PubChem CID154863356
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile
SMILESCOc1cc(CCNc2nc3ccccc3cc2C#N)ccc1OC(F)F
InChIInChI=1S/C20H17F2N3O2/c1-26-18-10-13(6-7-17(18)27-20(21)22)8-9-24-19-15(12-23)11-14-4-2-3-5-16(14)25-19/h2-7,10-11,20H,8-9H2,1H3,(H,24,25)
InChIKeySLSQVKVLENGQJL-UHFFFAOYSA-N
XLogP4.37
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
CID 4962241
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744384
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide
CID 83085287
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9031517
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile (CID 154863356) is 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile is COc1cc(CCNc2nc3ccccc3cc2C#N)ccc1OC(F)F.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile?
The InChIKey is SLSQVKVLENGQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-26-18-10-13(6-7-17(18)27-20(21)22)8-9-24-19-15(12-23)11-14-4-2-3-5-16(14)25-19/h2-7,10-11,20H,8-9H2,1H3,(H,24,25).
What are the key properties of 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile?
2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile has a molecular weight of 369.37 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 154863356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).